(16α,17Beta)-17-Hydroxy-3-(Sulfooxy)Estra-1(10),2,4-Trien-16-Yl Beta-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C24H32O12S |
IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(8r,9s,13s,14s,16r,17r)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 544.569 g·mol−1 |
Heat of Formation | -2142.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.24 ± 1.08 D |
Volume | 594.69 Å 3 |
Surface Area | 487.21 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | -0.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | ATNWFRGUDKUYOG-JRSYHJKYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |